3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C20H25N5O2 — CID 122334181

IUPAC3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)C3CCc4ccccc4O3)CC2)nn1
InChIInChI=1S/C20H25N5O2/c1-23(2)18-9-10-19(22-21-18)24-11-13-25(14-12-24)20(26)17-8-7-15-5-3-4-6-16(15)27-17/h3-6,9-10,17H,7-8,11-14H2,1-2H3
InChIKeyXQMSKVQFHQSGDV-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.59
Rot. Bonds3

About 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122334181) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122334181
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)C3CCc4ccccc4O3)CC2)nn1
InChIInChI=1S/C20H25N5O2/c1-23(2)18-9-10-19(22-21-18)24-11-13-25(14-12-24)20(26)17-8-7-15-5-3-4-6-16(15)27-17/h3-6,9-10,17H,7-8,11-14H2,1-2H3
InChIKeyXQMSKVQFHQSGDV-UHFFFAOYSA-N
XLogP1.59
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347236
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone
CID 126911894
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896825
3,4-dihydro-2H-chromen-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346744
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 136538921
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97437981
8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72847937

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122334181) is 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CN(C)c1ccc(N2CCN(C(=O)C3CCc4ccccc4O3)CC2)nn1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is XQMSKVQFHQSGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23(2)18-9-10-19(22-21-18)24-11-13-25(14-12-24)20(26)17-8-7-15-5-3-4-6-16(15)27-17/h3-6,9-10,17H,7-8,11-14H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122334181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).